Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 03:06:20 UTC |
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Updated at | 2021-07-15 17:28:22 UTC |
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NP-MRD ID | NP0018491 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Conflamide B |
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Provided By | NPAtlas |
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Description | Conflamide B is found in Albatrellus confluens. It was first documented in 2018 (PMID: 30047265). Based on a literature review very few articles have been published on ethyl (6S)-3,6-bis[(2S)-butan-2-yl]-4-oxo-5,6-dihydro-4H-1,2,5-oxadiazine-6-carboxylate. |
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Structure | [H]N1C(=O)C(=NO[C@]1(C(=O)OC([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] InChI=1S/C14H24N2O4/c1-6-9(4)11-12(17)15-14(20-16-11,10(5)7-2)13(18)19-8-3/h9-10H,6-8H2,1-5H3,(H,15,17)/t9-,10-,14-/m0/s1 |
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Synonyms | Value | Source |
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Ethyl (6S)-3,6-bis[(2S)-butan-2-yl]-4-oxo-5,6-dihydro-4H-1,2,5-oxadiazine-6-carboxylic acid | Generator |
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Chemical Formula | C14H24N2O4 |
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Average Mass | 284.3560 Da |
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Monoisotopic Mass | 284.17361 Da |
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IUPAC Name | ethyl (6S)-3,6-bis[(2S)-butan-2-yl]-4-oxo-5,6-dihydro-4H-1,2,5-oxadiazine-6-carboxylate |
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Traditional Name | ethyl (6S)-3,6-bis[(2S)-butan-2-yl]-4-oxo-5H-1,2,5-oxadiazine-6-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | CCOC(=O)[C@]1(NC(=O)C(=NO1)[C@@H](C)CC)[C@@H](C)CC |
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InChI Identifier | InChI=1S/C14H24N2O4/c1-6-9(4)11-12(17)15-14(20-16-11,10(5)7-2)13(18)19-8-3/h9-10H,6-8H2,1-5H3,(H,15,17)/t9-,10-,14-/m0/s1 |
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InChI Key | KXCKEPLQVQHPDP-BHDSKKPTSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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